TPCN01840

Name Salasol A
Molecular Formula C28H36O10
Molecular Weight 532.59
CAS Registry Number 612836-46-1
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CC3C(OC(C)=O)C1(OC3(C)C)C(C)CC(O)C2OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Microtropis japonica Roots 0.000086% Chem Biodivers 5(7): 1412-1418.(2008) 10.1002/cbdv.200890129
Properties
HBA 10 HBD 1
HeavyAtoms 38 AlogP 2.59
TPSA 134.66 RotatableBonds 6
FractionCSP3 0.64 Rings 4
AromaticRings 1 AliphaticRings 3